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204573-66-0 | Butanedinitrile, 2,3-bis[(4-methoxyphenyl)methyl]-
CAS No: 204573-66-0 Catalog No: AG0029KO MDL No:
Product Description
Catalog Number:
AG0029KO
Chemical Name:
Butanedinitrile, 2,3-bis[(4-methoxyphenyl)methyl]-
CAS Number:
204573-66-0
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
2,3-bis[(4-methoxyphenyl)methyl]butanedinitrile
InChI:
InChI=1S/C20H20N2O2/c1-23-19-7-3-15(4-8-19)11-17(13-21)18(14-22)12-16-5-9-20(24-2)10-6-16/h3-10,17-18H,11-12H2,1-2H3
InChI Key:
XUWIKCXWUUQBKZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC(C(Cc1ccc(cc1)OC)C#N)C#N
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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